3-bromanyl-N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]-4-hexoxy-benzamide

Systemtic Name: 3-bromanyl-N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]-4-hexoxy-benzamide Openeye Name: 3-bromo-N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]-4-hexoxy-benzamide CAS Name: 3-bromo-N-[[4-(2-cyclohexylethoxy)anilino]-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: 3-bromo-N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]-4-hexoxybenzamide Traditional Name: 3-bromo-N-[[4-(2-cyclohexylethoxy)phenyl]thiocarbamoyl]-4-hexoxy-benzamide Formula: C28H37BrN2O3S MolecularWeight: 561.57398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)OCCC3CCCCC3)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)OCCC3CCCCC3)Br

InChI

InChI=1S/C28H37BrN2O3S/c1-2-3-4-8-18-34-26-16-11-22(20-25(26)29)27(32)31-28(35)30-23-12-14-24(15-13-23)33-19-17-21-9-6-5-7-10-21/h11-16,20-21H,2-10,17-19H2,1H3,(H2,30,31,32,35)